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209802-63-1 | 1,1'-Biphenyl, 4,4'-bis[2,2-bis(4-bromophenyl)ethenyl]-
CAS No: 209802-63-1 Catalog No: AG002KEV MDL No:
Product Description
Catalog Number:
AG002KEV
Chemical Name:
1,1'-Biphenyl, 4,4'-bis[2,2-bis(4-bromophenyl)ethenyl]-
CAS Number:
209802-63-1
Molecular Formula:
C40H26Br4
Molecular Weight:
826.2504
IUPAC Name:
1-[2,2-bis(4-bromophenyl)ethenyl]-4-[4-[2,2-bis(4-bromophenyl)ethenyl]phenyl]benzene
InChI:
InChI=1S/C40H26Br4/c41-35-17-9-31(10-18-35)39(32-11-19-36(42)20-12-32)25-27-1-5-29(6-2-27)30-7-3-28(4-8-30)26-40(33-13-21-37(43)22-14-33)34-15-23-38(44)24-16-34/h1-26H
InChI Key:
YXMBIIMLUURBDE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=Cc1ccc(cc1)c1ccc(cc1)C=C(c1ccc(cc1)Br)c1ccc(cc1)Br)c1ccc(cc1)Br
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
825.873g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
826.264g/mol
Monoisotopic Mass:
821.877g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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